N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide

C22H26N2O3 — CID 9253004

IUPACN-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-7-5-6-10-20(16)24-21(25)15-27-19-13-11-18(12-14-19)23-22(26)17-8-3-2-4-9-17/h2-4,8-9,11-14,16,20H,5-7,10,15H2,1H3,(H,23,26)(H,24,25)/t16-,20-/m1/s1
InChIKeyIUBLHRYUEWTLBR-OXQOHEQNSA-N
MW366.46 g/mol
LogP4.01
Rot. Bonds6

About N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide

N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide (PubChem CID 9253004) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
PubChem CID9253004
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-7-5-6-10-20(16)24-21(25)15-27-19-13-11-18(12-14-19)23-22(26)17-8-3-2-4-9-17/h2-4,8-9,11-14,16,20H,5-7,10,15H2,1H3,(H,23,26)(H,24,25)/t16-,20-/m1/s1
InChIKeyIUBLHRYUEWTLBR-OXQOHEQNSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9320007
2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7203614
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149554
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
CID 171154743
N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8614526
N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide
CID 55345343
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-benzamidobenzoate
CID 7557879
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
2-(4-benzamidophenoxy)acetic acid
CID 3830392
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 11934185

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide (CID 9253004) is N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide is C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide?
The InChIKey is IUBLHRYUEWTLBR-OXQOHEQNSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-7-5-6-10-20(16)24-21(25)15-27-19-13-11-18(12-14-19)23-22(26)17-8-3-2-4-9-17/h2-4,8-9,11-14,16,20H,5-7,10,15H2,1H3,(H,23,26)(H,24,25)/t16-,20-/m1/s1.
What are the key properties of N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide?
N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 9253004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).